SCHEMBL7433779

SCHEMBL7433779

O=C(Cc1ccncc1)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
KDM4E B2RXH2 2/20 0.57
GSK3B P49841 2/20 0.52
KMT2A Q03164 1/20 0.50
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
THRB P10828 1/20 0.48
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15022982 0.93 KDM4E (0.58) LMNAKDM4EGSK3BKMT2AHDAC1
SCHEMBL6203734 0.86 ALDH1A1 (0.55) LMNAKDM4EKMT2AHDAC1HDAC6
SCHEMBL8584136 0.86 GSK3B (0.61) LMNAGSK3BKMT2AHDAC1HDAC6
SCHEMBL29985867 0.86 GSK3B (0.61) LMNAGSK3BKMT2AHDAC1HDAC6
SCHEMBL6775249 0.83 NPC1 (0.62) KDM4EHDAC1HDAC6MAPTL3MBTL1
SCHEMBL2512740 0.81 RAB9A (0.64) GSK3BKMT2AL3MBTL1RAB9ASMN1; SMN2
SCHEMBL2645324 0.81 LTA4H (0.58) KMT2AMAPTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL4102938 0.81 L3MBTL1 (0.68) LMNAKDM4EGSK3BKMT2ATHRB
SCHEMBL1157353 0.81 ALDH1A1 (0.66) LMNAKDM4EKMT2AMAPTL3MBTL1
SCHEMBL1351697 0.81 L3MBTL1 (0.67) KDM4EGSK3BKMT2AHDAC1HDAC6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030033-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-02-01 US disclosed
US-9790203-B2 Inhibitor compounds of phosphodiesterase type 10A ABBVIE INC. (US) 2017-10-17 US disclosed
EP-2922842-B1 INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC (US) 2017-06-14 EP disclosed
EP-2922842-A2 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Inc. (US) 2015-09-30 EP disclosed
WO-2014079995-A2 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2014-05-30 WO disclosed
US-20140148461-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-05-29 US disclosed
US-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 US disclosed
US-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 US disclosed
US-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 US disclosed
EP-0948257-A4 TRIARYL SUBSTITUTED IMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 1999-12-29 EP disclosed
EP-0948257-A1 TRIARYL SUBSTITUTED IMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 1999-10-13 EP disclosed
US-5955480-A GLUCAGON RECEPTOR ANTAGONISTS, CYTOKINE INHIBITORS MERCK & CO., INC. (US) 1999-09-21 US disclosed
WO-1998021957-A1 TRIARYL SUBSTITUTED IMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1998-05-28 WO disclosed
WO-1996020928-A1 PIPERIDINE-BASED SIGMA RECEPTOR LIGANDS AUSTRALIAN NUCLEAR SCIENCE & TECHNOLOGY ORGANISATION (AU) 1996-07-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180030033-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE1A, PDE1B, PDE3A LMNA 1231/4885KDM4E 2358/4885GSK3B 2332/4885
US-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF CHRNA10, ATXN10, SCN10A LMNA 3814/4885KDM4E 784/4885GSK3B 359/4885
US-20140148461-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE1A, PDE1B, PDE3A LMNA 1244/4885KDM4E 2378/4885GSK3B 2333/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.